(4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one

C19H22N6O — CID 129003809

IUPAC(4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1cccc2c(NC[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3)ncnc12
InChIInChI=1S/C19H22N6O/c1-12-5-4-6-15-17(12)21-11-22-19(15)20-8-13-7-16(26)25(3)18(13)14-9-23-24(2)10-14/h4-6,9-11,13,18H,7-8H2,1-3H3,(H,20,21,22)/t13-,18+/m0/s1
InChIKeyOBRYSNLBIOQYPV-SCLBCKFNSA-N
MW350.43 g/mol
LogP2.30
Rot. Bonds4

About (4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one

(4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 129003809) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one
PubChem CID129003809
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name(4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1cccc2c(NC[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3)ncnc12
InChIInChI=1S/C19H22N6O/c1-12-5-4-6-15-17(12)21-11-22-19(15)20-8-13-7-16(26)25(3)18(13)14-9-23-24(2)10-14/h4-6,9-11,13,18H,7-8H2,1-3H3,(H,20,21,22)/t13-,18+/m0/s1
InChIKeyOBRYSNLBIOQYPV-SCLBCKFNSA-N
XLogP2.30
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one (CID 129003809) is (4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one is Cc1cccc2c(NC[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3)ncnc12.
What is the InChIKey of (4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is OBRYSNLBIOQYPV-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-5-4-6-15-17(12)21-11-22-19(15)20-8-13-7-16(26)25(3)18(13)14-9-23-24(2)10-14/h4-6,9-11,13,18H,7-8H2,1-3H3,(H,20,21,22)/t13-,18+/m0/s1.
What are the key properties of (4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one?
(4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 350.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(8-methylquinazolin-4-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 129003809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).